CID 57355299

Tert-butyl 3-tert-butylpiperazine-1-carboxylate

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CC(C)(C)C1CN(CCN1)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H26N2O2/c1-12(2,3)10-9-15(8-7-14-10)11(16)17-13(4,5)6/h10,14H,7-9H2,1-6H3
InChIKey
LCTYDUNZQLEACC-UHFFFAOYSA-N
Compound name
tert-butyl 3-tert-butylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

242.19943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.20671 162.1
[M+Na]+ 265.18865 166.5
[M-H]- 241.19215 160.8
[M+NH4]+ 260.23325 176.7
[M+K]+ 281.16259 165.1
[M+H-H2O]+ 225.19669 155.9
[M+HCOO]- 287.19763 173.4
[M+CH3COO]- 301.21328 190.6
[M+Na-2H]- 263.17410 164.7
[M]+ 242.19888 159.0
[M]- 242.19998 159.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe